3,4-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide

C20H20N2O2 — CID 16866601

IUPAC3,4-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
SMILESCc1ccc(-c2cc(CNC(=O)c3ccc(C)c(C)c3)no2)cc1
InChIInChI=1S/C20H20N2O2/c1-13-4-7-16(8-5-13)19-11-18(22-24-19)12-21-20(23)17-9-6-14(2)15(3)10-17/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyZMHIVRGKEBBNAB-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.20
Rot. Bonds4

About 3,4-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide

3,4-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide (PubChem CID 16866601) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3,4-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
PubChem CID16866601
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name3,4-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
SMILESCc1ccc(-c2cc(CNC(=O)c3ccc(C)c(C)c3)no2)cc1
InChIInChI=1S/C20H20N2O2/c1-13-4-7-16(8-5-13)19-11-18(22-24-19)12-21-20(23)17-9-6-14(2)15(3)10-17/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyZMHIVRGKEBBNAB-UHFFFAOYSA-N
XLogP4.20
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide (CID 16866601) is 3,4-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide is Cc1ccc(-c2cc(CNC(=O)c3ccc(C)c(C)c3)no2)cc1.
What is the InChIKey of 3,4-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The InChIKey is ZMHIVRGKEBBNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-13-4-7-16(8-5-13)19-11-18(22-24-19)12-21-20(23)17-9-6-14(2)15(3)10-17/h4-11H,12H2,1-3H3,(H,21,23).
What are the key properties of 3,4-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
3,4-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide has a molecular weight of 320.39 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide is sourced from PubChem (CID 16866601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).